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CHEBI:217130 - 4-(4'-(2'-methoxy-4'-sulfoxy-3',5',6'-trimethylbenzoyloxy)-2'-hydroxy-3',5',6'-trimethylbenzoyloxy)-2-methoxy-3,5,6-trimethylbenzoic acid

Default Structure
ChEBI IDCHEBI:217130
ChEBI Name4-(4'-(2'-methoxy-4'-sulfoxy-3',5',6'-trimethylbenzoyloxy)-2'-hydroxy-3',5',6'-trimethylbenzoyloxy)-2-methoxy-3,5,6-trimethylbenzoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36O13S
Net Charge0
Average Mass660.694
Monoisotopic Mass660.18766
SMILESCOc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(C)c(OS(=O)(=O)O)c(C)c3OC)c(C)c2O)c(C)c(C)c1C(=O)O
InChIInChI=1S/C32H36O13S/c1-12-15(4)25(43-32(37)23-14(3)17(6)27(45-46(38,39)40)20(9)29(23)42-11)18(7)24(33)21(12)31(36)44-26-16(5)13(2)22(30(34)35)28(41-10)19(26)8/h33H,1-11H3,(H,34,35)(H,38,39,40)
InChIKeyBWGCUMHTLPQADR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Trichophyton rubrum (ncbitaxon:5551) - PubMed (23734767)
ChEBI Ontology
Outgoing Relation(s)
4-(4'-(2'-methoxy-4'-sulfoxy-3',5',6'-trimethylbenzoyloxy)-2'-hydroxy-3',5',6'-trimethylbenzoyloxy)-2-methoxy-3,5,6-trimethylbenzoic acid (CHEBI:217130) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
4-[2-hydroxy-4-(2-methoxy-3,5,6-trimethyl-4-sulooxybenzoyl)oxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid
Manual XrefsDatabases
78435664ChemSpider